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Hydrochloric Acid → 1629658-17-8

HRID 625866
ノート
印刷プレビュー

反応式

HRID 625866 の反応式
[C:1]([O:5][C:6]([NH:8][C@@H:9]([CH2:13][C:14]1[CH:19]=[CH:18][C:17]([F:20])=[C:16]([Cl:21])[CH:15]=1)[C:10]([OH:12])=[O:11])=[O:7])([CH3:4])(C)C.Cl.C([O-])([O-])=O.[Na+].[Na+].C(=O)(ON1C(=O)CCC1=O)OCC1[C:44]2[CH:43]=[CH:42][CH:41]=[CH:40][C:39]=2[C:38]2[C:33]1=[CH:34][CH:35]=[CH:36][CH:37]=2>O1CCOCC1.CCOC(C)=O>[CH:41]1[C:40]2[CH:4]([CH2:1][O:5][C:6]([NH:8][C@@H:9]([CH2:13][C:14]3[CH:19]=[CH:18][C:17]([F:20])=[C:16]([Cl:21])[CH:15]=3)[C:10]([OH:12])=[O:11])=[O:7])[C:33]3[C:38](=[CH:37][CH:36]=[CH:35][CH:34]=3)[C:39]=2[CH:44]=[CH:43][CH:42]=1
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

7

反応物 4

HCID 313Hydrochloric Acid2 回HCID 10340Sodium CarbonateHCID 134122N-(9-Fluorenylmethoxycarbonyloxy)succinimideHCID 90457444HCID 90457444、化合物

生成物 1

HCID 904567581629658-17-8

試薬・触媒・溶媒 2

HCID 8857Ethyl Acetate溶媒
HCID 31275
1,4-Dioxane
溶媒

反応条件

温度
0 °C

実験手順

The (S)-2-((tert-butoxycarbonyl)amino)-3-(3-chloro-4-fluorophenyl)propanoic acid (183.0 mg, 0.576 mmol) was suspended in a 4M hydrochloric acid (1440 μl, 5.76 mmol) solution in dioxane at room temperature for 2 h. After solvent evaporation, the crude product was cooled to 0° C. using an ice bath before being dissolved in MeCN (288 μl) and a 2.0M aqueous solution of Na2CO3 (288 μl, 0.576 mmol). (9H-fluoren-9-yl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate (194 mg, 0.576 mmol) was added to the solution and the reaction mixture was allowed to stir for 30 min. The mixture was diluted in 5.0 mL of EtOAc and the aqueous phase was neutralized with a few drops of an aqueous 1N HCl solution. The organic solvents were evaporated and the crude product was then partitioned between a saturated aqueous NH4Cl solution and EtOAc. The crude product was extracted with EtOAc. The organic fractions were combined and dried over anhydrous sodium sulfate. After filtration and concentration, a yellow crystalline solid was obtained. Purification by silica gel chromatography using 100% hexanes to 30% EtOAc/Hexanes yielded the desired product as a white crystalline solid. A second purification on silica gel was performed using 100% DCM to 20% MeOH/DCM as eluant. The desired product, (S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(3-chloro-4-fluorophenyl)propanoic acid, was obtained as a white solid (0.111 g, 44%). 1H NMR (400 MHz, methanol-d4) δ 7.79 (d, J=7.5 Hz, 2H), 7.60 (t, J=6.8 Hz, 2H), 7.47-7.23 (m, 5H), 7.25-7.14 (m, 1H), 7.13 (d, J=9.0 Hz, 1H), 4.52-4.11 (m, 4H), 3.19 (dd, J=14.3, 4.6 Hz, 1H), 2.92 (dd, J=13.9, 9.7 Hz, 1H).

後処理

  1. customAfter solvent evaporation
  2. dissolutionbefore being dissolved in MeCN (288 μl)
  3. customThe organic solvents were evaporated
  4. customthe crude product was then partitioned between a saturated aqueous NH4Cl solution and EtOAc
  5. extractionThe crude product was extracted with EtOAc
  6. dry with materialdried over anhydrous sodium sulfate
  7. filtrationAfter filtration and concentration
  8. customa yellow crystalline solid was obtained
  9. customPurification by silica gel chromatography

出典と根拠

ORDレコード
ord-f6529af07ad24df19afb4277c5cb363a
出典データセット
uspto-grants-2016_04
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09308236B2

反応ノート

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